Geometry & MOs

Info

ID:	45905
PubChem CID:	10518946
Reduced:	FNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-178.33
Dipole, Da:	2.2
IP(EA), eV:	-9.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(cycloheptylamino)-2-methylsulfanylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C1=CC=C(C=C1)F)O

DOS

IR

Vibrations